1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(furan-2-yl)-4-phenylimidazole

C19H18N4O — CID 50954439

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(furan-2-yl)-4-phenylimidazole
SMILESCc1n[nH]c(C)c1Cn1cnc(-c2ccccc2)c1-c1ccco1
InChIInChI=1S/C19H18N4O/c1-13-16(14(2)22-21-13)11-23-12-20-18(15-7-4-3-5-8-15)19(23)17-9-6-10-24-17/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyNFFSWELVPIDDTR-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.20
Rot. Bonds4

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(furan-2-yl)-4-phenylimidazole

1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(furan-2-yl)-4-phenylimidazole (PubChem CID 50954439) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(furan-2-yl)-4-phenylimidazole.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(furan-2-yl)-4-phenylimidazole
PubChem CID50954439
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(furan-2-yl)-4-phenylimidazole
SMILESCc1n[nH]c(C)c1Cn1cnc(-c2ccccc2)c1-c1ccco1
InChIInChI=1S/C19H18N4O/c1-13-16(14(2)22-21-13)11-23-12-20-18(15-7-4-3-5-8-15)19(23)17-9-6-10-24-17/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyNFFSWELVPIDDTR-UHFFFAOYSA-N
XLogP4.20
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(furan-2-yl)-4-phenylimidazole?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(furan-2-yl)-4-phenylimidazole (CID 50954439) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(furan-2-yl)-4-phenylimidazole.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(furan-2-yl)-4-phenylimidazole?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(furan-2-yl)-4-phenylimidazole is Cc1n[nH]c(C)c1Cn1cnc(-c2ccccc2)c1-c1ccco1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(furan-2-yl)-4-phenylimidazole?
The InChIKey is NFFSWELVPIDDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-16(14(2)22-21-13)11-23-12-20-18(15-7-4-3-5-8-15)19(23)17-9-6-10-24-17/h3-10,12H,11H2,1-2H3,(H,21,22).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(furan-2-yl)-4-phenylimidazole?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(furan-2-yl)-4-phenylimidazole has a molecular weight of 318.38 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(furan-2-yl)-4-phenylimidazole is sourced from PubChem (CID 50954439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).